>compound Daidzein_Daidzein
#instrument UPLC Q-Tof Premier, Waters
>formula C15H10O4
#smiles Oc(c3)ccc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1
#RECORD LC-ESI-QTOF_train_data/PR100637.txt;LC-ESI-QTOF_train_data/PR100225.txt;LC-ESI-QTOF_train_data/PR100638.txt
>charge -1
>ionization [M-H]-
>parentmass 253.05011

>collision 5-60
91.0212 881.4
132.0244 770.7
133.0321 678.4
135.0117 469.3
180.0617 352.5
195.0493 534.4
208.0573 761.1
209.0655 432.5
223.0453 786.3
224.0526 764.6
253.0501 6453.0
253.3113 564.8
253.448 1285.0

>collision 5-60
91.0574 1134.0
128.0664 509.4
137.0274 1349.0
152.0669 973.0
153.0748 688.9
181.0704 1143.0
199.0808 1460.0
227.0766 646.1
237.0619 329.0
255.0657 6270.0

>collision 30
89.0396 201.8
91.019 2089.0
117.0341 249.2
132.021 1672.0
133.0291 1669.0
135.0083 848.7
167.0494 208.7
169.0655 331.3
180.0575 848.9
182.0372 196.4
195.0444 1118.0
196.0523 590.7
197.0598 255.8
208.0525 1845.0
209.0606 421.3
223.0395 2054.0
224.0475 1050.0
225.0553 281.3
253.0501 963.6

